Geometry & MOs

Info

ID:	368874
PubChem CID:	127330844
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-122.89
Dipole, Da:	10.58
IP(EA), eV:	-8.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopentylamino)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC(=C1)NC2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations